| Properties | Image |
| MNX_ID | MNXM1122174 |
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| reference | chebi:159564 |
| formula | C13H22N6O7 |
| global charge | 0 |
| mol weight | 374.354 |
| InChIKey | RCENDENBBJFJHZ-ACZMJKKPSA-N |
| InChI | InChI=1S/C13H22N6O7/c14-5(3-9(16)21)11(23)19-7(4-10(17)22)12(24)18-6(13(25)26)1-2-8(15)20/h5-7H,1-4,14H2,(H2,15,20)(H2,16,21)(H2,17,22)(H,18,24)(H,19,23)(H,25,26)/t5-,6-,7-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N6O7/c14-5(3-9(16)21)11(23)19-7(4-10(17)22)12(24)18-6(13(25)26)1-2-8(15)20/h5-7H,1-4,14H2,(H2,15,20)(H2,16,21)(H2,17,22)(H,18,24)(H,19,23)(H,25,26)/t5-,6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[NH:15])[OH:20])[C@@H:6]([C:13](=[O:25])[OH:26])[N:18]=[C:12]([C@H:7]([CH2:4][C:10](=[NH:17])[OH:22])[N:19]=[C:11]([C@H:5]([CH2:3][C:9](=[NH:16])[OH:21])[NH2:14])[OH:23])[OH:24] |
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